General Information of the Compound
| Compound ID |
CP0442065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-3-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O2
|
||||||||||||||||||
| Molecular Weight |
386.495
|
||||||||||||||||||
| Canonical SMILES |
O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cnc2ccccc2c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O2/c28-24(19-16-18-8-4-6-12-22(18)26-17-19)27-15-14-25(29,20-9-2-1-3-10-20)21-11-5-7-13-23(21)27/h1-4,6,8-10,12,16-17,21,23,29H,5,7,11,13-15H2/t21-,23+,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWIPTNXNKAKQSL-NMVJMZGASA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2